SCHEMBL5219338

SCHEMBL5219338

C=C(C)COCC(C)(C)NC[C@@H](O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.40
F2 P00734 2/20 0.39
CASR P41180 4/20 0.38
LAP3 P28838 3/20 0.36
ANPEP P15144 1/20 0.36
RNPEP Q9H4A4 1/20 0.36
DNPEP Q9ULA0 1/20 0.36
BCHE P06276 1/20 0.35
LTA4H P09960 1/20 0.34
REN P00797 1/20 0.34
TACR1 P25103 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5225738 0.85 CASR (0.46) CSNK1EF2CASRLAP3ANPEP
SCHEMBL5222018 0.83 CTSD (0.44) CSNK1EF2CASRLAP3ANPEP
SCHEMBL5225568 0.81 CASR (0.46) CSNK1EF2CASRLAP3ANPEP
SCHEMBL5222603 0.80 OPRM1 (0.35) CASR
SCHEMBL5222615 0.80 OPRM1 (0.35) CASR
SCHEMBL5217674 0.80 CSNK1E (0.49) CSNK1EF2CASRLAP3ANPEP
SCHEMBL5396321 0.79 CSNK1E (0.51) CSNK1EF2CASRLAP3ANPEP
SCHEMBL5218444 0.77 CSNK1E (0.47) CSNK1EF2CASRLAP3ANPEP
Hydrochloric Acid SCHEMBL5217528 0.77 CSNK1E (0.50) CSNK1EF2CASRLAP3ANPEP
SCHEMBL5217437 0.77 CSNK1E (0.51) CSNK1EF2BCHE

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7253198-B2 Hydroxyethylamine derivatives for the treatment of Alzheimer's disease GLAXO GROUP LIMITED (GB) 2007-08-07 US disclosed
EP-1567488-B1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2007-02-21 EP disclosed
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-02-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease BACE2, PSEN2, BACE1 CSNK1E 1649/4885F2 4696/4885CASR 2790/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.